S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate
TL;DR: S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate (CAS 94217-06-8) is a chemical compound with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1-amino-2-sulfosulfanylpropylidene)amino]methylbenzene
Also Known As: S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate, (2-sulfosulfanylpropanimidoylamino)methylbenzene, [(1-amino-2-sulfosulfanylpropylidene)amino]methylbenzene
| Molecular Formula | C10H14N2O3S2 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0446 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 94217-06-8 |
|---|---|
| SMILES | CC(C(=NCC1=CC=CC=C1)N)SS(=O)(=O)O |
| InChIKey | QXROTHHPIPHXIO-UHFFFAOYSA-N |
Product Overview
S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate (CAS 94217-06-8), with molecular formula C10H14N2O3S2 and molecular weight 274.04 g/mol. IUPAC: [(1-amino-2-sulfosulfanylpropylidene)amino]methylbenzene.
Chemical Property Profile of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate
Property Insights of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate. Following Lipinski's Rule of Five, S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate?
The CAS number of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate is 94217-06-8.
What is the molecular formula of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate?
The molecular formula of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate is C10H14N2O3S2.
What is the molecular weight of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate?
The molecular weight of S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate is 274.04 g/mol.
Where can I buy S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate?
You can request a quote for S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-(Benzylamino)-2-imino-1-methylethyl) hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.